77275-70-8 ((Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-)

CAS号:
77275-70-8
英文名称:
Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-
分子式:
C72H105N19O13S
分子量:
1476.78861403465

Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-(77275-70-8)名称与标识符

名称

英文别名:
Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-;(D-Pro2,D-Phe7,D-Trp9)-Substance P;[D- PRO2 ,D- PHE7 ,D- TRP9 ]-SUBSTANCE P;Substance P-[D-Pro2,D-Phe7,D-Trp9];(D-PROLINE2,D-PHENYLALANINE7,D-TRYPTOPHAN9)SUBSTANCE P);ARG-D-PRO-LYS-PRO-GLN-GLN-D-PHE-PHE-D-TRP-LEU-MET-NH2;H-ARG-D-PRO-LYS-PRO-GLN-GLN-D-PHE-PHE-D-TRP-LEU-MET-NH2;Substance P,(D-Pro2,D-Phe7,D-Trp9);substance P,Pro(2)-Phe(7)-Trp(9);2-Pro-7-phe-9-trp-substance P;77275-70-8;Substance P, prolyl(2)-phenylalanyl(7)-tryptophan(9)-;2,7,9-Ppt-SP;Substance P, pro(2)-phe(7)-trp(9)-;Substance P, 2-D-proline-7-D-phenylalanine-9-D-tryptophan-;2-Prolyl-7-phenylalanyl-9-tryptophan-substance P;

标识符

InChIKey:
DJTXGXBJAUKOBG-YHWCEVJTSA-N
Inchi:
1S/C72H105N19O13S/c1-42(2)37-53(64(97)82-49(61(77)94)31-36-105-3)86-67(100)56(40-45-41-81-48-23-11-10-21-46(45)48)89-66(99)55(39-44-19-8-5-9-20-44)88-65(98)54(38-43-17-6-4-7-18-43)87-63(96)50(27-29-59(75)92)83-62(95)51(28-30-60(76)93)84-68(101)58-26-16-35-91(58)71(104)52(24-12-13-32-73)85-69(102)57-25-15-34-90(57)70(103)47(74)22-14-33-80-72(78)79/h4-11,17-21,23,41-42,47,49-58,81H,12-16,22,24-40,73-74H2,1-3H3,(H2,75,92)(H2,76,93)(H2,77,94)(H,82,97)(H,83,95)(H,84,101)(H,85,102)(H,86,100)(H,87,96)(H,88,98)(H,89,99)(H4,78,79,80)/t47-,49-,50-,51-,52-,53?,54+,55-,56+,57+,58-/m0/s1
SMILES:
S(C)CC[C@@H](C(N)=O)NC(C(CC(C)C)NC([C@@H](CC1=CNC2C=CC=CC1=2)NC([C@H](CC1C=CC=CC=1)NC([C@@H](CC1C=CC=CC=1)NC([C@H](CCC(N)=O)NC([C@H](CCC(N)=O)NC([C@@H]1CCCN1C([C@H](CCCCN)NC([C@H]1CCCN1C([C@H](CCC/N=C(\N)/N)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-(77275-70-8)物化性质

实验特性

  • LogP : 6.28670
  • PSA : 557.72000

计算特性

  • 精确分子量 : 1475.79000
  • 氢键供体数量 : 16
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 44
  • 同位素质量 : 1475.786
  • 重原子数量 : 105
  • 复杂度 : 2950
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.2
  • 拓扑分子极性表面积 : 560A^2

Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-(77275-70-8)安全信息

Substance P,2-D-proline-7-D-phenylalanine-9-D-tryptophan-(77275-70-8)推荐厂家 更多厂家(8)